Structure of PDB 8ayn Chain C Binding Site BS01

Receptor Information

>8ayn Chain C (length=407) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NRTYIVTTILEDPYVMLKKNANQFEGNDRYEGYCVELAAEIAKHVGYSYR
LEIVSDGKYGARDPDTKAWNGMVGELVYGRADVAVAPLTITLVREEVIDF
SKPFMSLGISIMIKKPQKSKPGVFSFLDPLAYEIWMCIVFAYIGVSVVLF
LVSRFSPYEWNEFGIFNSLWFSLGAFMQQGCDISPRSLSGRIVGGVWWFF
TLIIISSYTANLAAFLTVERMVSPIESAEDLAKQTEIAYGTLEAGSTKEF
FRRSKIAVFEKMWTYMKSAEPSVFVRTTEEGMIRVRKSKGKYAYLLESTM
NEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSALRGPVNLAVLKLSEQGV
LDKLKSKWWYDKGECGSKDDKTSALSLSNVAGVFYILIGGLGLAMLVALI
EFCYKSR

Ligand information

Ligand ID

OLR

InChI

InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1

InChIKey

HLTKOFPQDKJCAN-LBPRGKRZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C[C@@H](c1ccc2c(c1)SC(=O)N2)c3ccn(n3)c4ccc(cn4)OCCO
CACTVS 3.385	C[C@@H](c1ccc2NC(=O)Sc2c1)c3ccn(n3)c4ccc(OCCO)cn4
CACTVS 3.385	C[CH](c1ccc2NC(=O)Sc2c1)c3ccn(n3)c4ccc(OCCO)cn4
OpenEye OEToolkits 3.1.0.0	CC(c1ccc2c(c1)SC(=O)N2)c3ccn(n3)c4ccc(cn4)OCCO

Formula

C19 H18 N4 O3 S

Name

6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one

PDB chain

8ayn Chain I Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8ayn Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	E520 F527
Binding residue (residue number reindexed from 1)	E133 F140
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0001540	amyloid-beta binding
GO:0001965	G-protein alpha-subunit binding
GO:0004970	glutamate-gated receptor activity
GO:0004971	AMPA glutamate receptor activity
GO:0005216	monoatomic ion channel activity
GO:0005515	protein binding
GO:0008179	adenylate cyclase binding
GO:0015276	ligand-gated monoatomic ion channel activity
GO:0019865	immunoglobulin binding
GO:0019901	protein kinase binding
GO:0019904	protein domain specific binding
GO:0022849	glutamate-gated calcium ion channel activity
GO:0030165	PDZ domain binding
GO:0031267	small GTPase binding
GO:0031489	myosin V binding
GO:0031681	G-protein beta-subunit binding
GO:0031698	beta-2 adrenergic receptor binding
GO:0035254	glutamate receptor binding
GO:0038023	signaling receptor activity
GO:0042802	identical protein binding
GO:0051018	protein kinase A binding
GO:0051428	peptide hormone receptor binding
GO:0097110	scaffold protein binding
GO:0099507	ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
GO:0099583	neurotransmitter receptor activity involved in regulation of postsynaptic cytosolic calcium ion concentration
GO:1904315	transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential

	Biological Process
GO:0001919	regulation of receptor recycling
GO:0006811	monoatomic ion transport
GO:0007268	chemical synaptic transmission
GO:0007416	synapse assembly
GO:0007616	long-term memory
GO:0009410	response to xenobiotic stimulus
GO:0009636	response to toxic substance
GO:0009744	response to sucrose
GO:0010226	response to lithium ion
GO:0010628	positive regulation of gene expression
GO:0014070	response to organic cyclic compound
GO:0019228	neuronal action potential
GO:0019722	calcium-mediated signaling
GO:0021510	spinal cord development
GO:0021987	cerebral cortex development
GO:0031623	receptor internalization
GO:0031667	response to nutrient levels
GO:0032355	response to estradiol
GO:0034220	monoatomic ion transmembrane transport
GO:0034765	regulation of monoatomic ion transmembrane transport
GO:0035235	ionotropic glutamate receptor signaling pathway
GO:0035249	synaptic transmission, glutamatergic
GO:0042220	response to cocaine
GO:0043278	response to morphine
GO:0043434	response to peptide hormone
GO:0045471	response to ethanol
GO:0045838	positive regulation of membrane potential
GO:0046685	response to arsenic-containing substance
GO:0048167	regulation of synaptic plasticity
GO:0048266	behavioral response to pain
GO:0050804	modulation of chemical synaptic transmission
GO:0050806	positive regulation of synaptic transmission
GO:0051602	response to electrical stimulus
GO:0060078	regulation of postsynaptic membrane potential
GO:0060291	long-term synaptic potentiation
GO:0060292	long-term synaptic depression
GO:0060992	response to fungicide
GO:0071230	cellular response to amino acid stimulus
GO:0071242	cellular response to ammonium ion
GO:0071359	cellular response to dsRNA
GO:0071363	cellular response to growth factor stimulus
GO:0071375	cellular response to peptide hormone stimulus
GO:0071407	cellular response to organic cyclic compound
GO:0071418	cellular response to amine stimulus
GO:0090326	positive regulation of locomotion involved in locomotory behavior
GO:0099505	regulation of presynaptic membrane potential
GO:0099566	regulation of postsynaptic cytosolic calcium ion concentration
GO:1905232	cellular response to L-glutamate
GO:1990416	cellular response to brain-derived neurotrophic factor stimulus
GO:1990708	conditioned place preference
GO:1990911	response to psychosocial stress
GO:2000463	positive regulation of excitatory postsynaptic potential

	Cellular Component
GO:0005768	endosome
GO:0005769	early endosome
GO:0005783	endoplasmic reticulum
GO:0005789	endoplasmic reticulum membrane
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0005911	cell-cell junction
GO:0008021	synaptic vesicle
GO:0008328	ionotropic glutamate receptor complex
GO:0009897	external side of plasma membrane
GO:0009986	cell surface
GO:0014069	postsynaptic density
GO:0016020	membrane
GO:0030425	dendrite
GO:0030672	synaptic vesicle membrane
GO:0031594	neuromuscular junction
GO:0031901	early endosome membrane
GO:0032279	asymmetric synapse
GO:0032281	AMPA glutamate receptor complex
GO:0032590	dendrite membrane
GO:0032591	dendritic spine membrane
GO:0032809	neuronal cell body membrane
GO:0032991	protein-containing complex
GO:0036477	somatodendritic compartment
GO:0042734	presynaptic membrane
GO:0042995	cell projection
GO:0043005	neuron projection
GO:0043025	neuronal cell body
GO:0043197	dendritic spine
GO:0043198	dendritic shaft
GO:0044297	cell body
GO:0044308	axonal spine
GO:0044309	neuron spine
GO:0045202	synapse
GO:0045211	postsynaptic membrane
GO:0048787	presynaptic active zone membrane
GO:0055037	recycling endosome
GO:0055038	recycling endosome membrane
GO:0060076	excitatory synapse
GO:0097060	synaptic membrane
GO:0098793	presynapse
GO:0098794	postsynapse
GO:0098839	postsynaptic density membrane
GO:0098978	glutamatergic synapse
GO:0099092	postsynaptic density, intracellular component
GO:0099544	perisynaptic space
GO:1990635	proximal dendrite

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:8ayn, PDBe:8ayn, PDBj:8ayn
PDBsum	8ayn
PubMed	36966141
UniProt	P19490\|GRIA1_RAT Glutamate receptor 1 (Gene Name=Gria1)

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